Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

By |May 30, 2018|Categories: Publications|

Abstract Despite a large number of antiretroviral drugs targeting HIV-1 [...]

Comments Off on Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

By |February 7, 2018|Categories: Latest News, Publications|

We are pleased to announce the publication of this paper [...]

Comments Off on SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

By |January 8, 2018|Categories: Latest News, Publications|

This paper has recently been published in the Journal of Chemical [...]

Comments Off on Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

Robust cross-platform workflows: how technical and scientific communities collaborate to develop, test and share best practices for data analysis

By |November 13, 2017|Categories: Publications|

This paper is published in Data Science and Engineering, to [...]

Comments Off on Robust cross-platform workflows: how technical and scientific communities collaborate to develop, test and share best practices for data analysis

Identifiers for the 21st century: How to design, provision, and reuse persistent identifiers to maximize utility and impact of life science data

By |July 10, 2017|Categories: Publications|Tags: |

The paper Identifiers for the 21st century: How to design, [...]

Comments Off on Identifiers for the 21st century: How to design, provision, and reuse persistent identifiers to maximize utility and impact of life science data
Go to Top